3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

C13H15F3N4O3 — CID 166721277

IUPAC3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESO=C(NC1(C(F)(F)F)CCC1)c1cnn2c1CN(C(=O)O)CC2
InChIInChI=1S/C13H15F3N4O3/c14-13(15,16)12(2-1-3-12)18-10(21)8-6-17-20-5-4-19(11(22)23)7-9(8)20/h6H,1-5,7H2,(H,18,21)(H,22,23)
InChIKeyZQVMJSSJSJTFGX-UHFFFAOYSA-N
MW332.28 g/mol
LogP1.59
Rot. Bonds2

About 3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (PubChem CID 166721277) has the molecular formula C13H15F3N4O3 and a molecular weight of 332.28 g/mol. Its IUPAC name is 3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
PubChem CID166721277
Molecular FormulaC13H15F3N4O3
Molecular Weight332.28 g/mol
Exact Mass332.11
IUPAC Name3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESO=C(NC1(C(F)(F)F)CCC1)c1cnn2c1CN(C(=O)O)CC2
InChIInChI=1S/C13H15F3N4O3/c14-13(15,16)12(2-1-3-12)18-10(21)8-6-17-20-5-4-19(11(22)23)7-9(8)20/h6H,1-5,7H2,(H,18,21)(H,22,23)
InChIKeyZQVMJSSJSJTFGX-UHFFFAOYSA-N
XLogP1.59
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 150811241
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 120530814
tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane
CID 155716331
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120512689
5-(2-fluorobenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 134787719
N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141405538
5-N-(3,4-difluorophenyl)-3-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 162616186
methyl 5-(2-chloroacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 166407985
4-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218219
1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide
CID 106218185
6-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218176
3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide
CID 106211269

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The IUPAC name of 3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (CID 166721277) is 3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.
What is the SMILES notation for 3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The canonical SMILES for 3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is O=C(NC1(C(F)(F)F)CCC1)c1cnn2c1CN(C(=O)O)CC2.
What is the InChIKey of 3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The InChIKey is ZQVMJSSJSJTFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O3/c14-13(15,16)12(2-1-3-12)18-10(21)8-6-17-20-5-4-19(11(22)23)7-9(8)20/h6H,1-5,7H2,(H,18,21)(H,22,23).
What are the key properties of 3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid has a molecular weight of 332.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(trifluoromethyl)cyclobutyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is sourced from PubChem (CID 166721277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).